Compound Detail
CHEMBL4111581
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CCO[C@H]1CN(c2nc(-c3cccc(Cl)c3OCc3cc4c(c(OC)c3)CN(C3CCOCC3)CC4)cs2)CC[C@H]1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4111581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFBHBTGYGHPYLH-RNAHPLFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
642.2
MW (Da)
5.90
ALogP
9
HBA
1
HBD
93.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Soluble guanylate cyclase CHEMBL2111348 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Soluble guanylate cyclase | EC50 | = | 3.0 | nM | 8.52 | Homogeneous Time Resolved Fluorescence Assay: The sGC cellular activator assay i... | - |
| Unchecked | EC50 | = | 3.0 | nM | 8.52 | Homogeneous Time Resolved Fluorescence Assay: The sGC cellular activator assay i... | - |
Data from ChEMBL 36 via Core Engine